| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:17 UTC |
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| Update Date | 2025-03-21 18:38:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123004 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C6H6O2 |
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| Molecular Mass | 110.0368 |
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| SMILES | C=C1C=C(C)OC1=O |
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| InChI Key | VSCQUTIRTQKBRX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dihydrofurans |
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| Subclass | dihydrofurans |
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| Direct Parent | dihydrofurans |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundsenoate estersenol estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | enoate estercarbonyl groupcarboxylic acid derivativelactoneoxacyclealpha,beta-unsaturated carboxylic esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativeenol esterorganooxygen compounddihydrofuran |
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